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"Improved estimation of ligand-macromolecule binding affinities by linear ..."

Akash Khandelwal, Stefan Balaz (2007)

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DOI: 10.1007/S10822-007-9104-4

access: closed

type: Journal Article

metadata version: 2022-10-02

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  - https://dblp.org/rec/journals/jcamd/KhandelwalB07
Akash Khandelwal, Stefan Balaz:
Improved estimation of ligand-macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods. J. Comput. Aided Mol. Des. 21(1-3): 131-137 (2007)

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